Project name: fd8568a29518a8b

Chain sequence(s)	B: AEEKLKELSKKLFEEFEKAAEYIKAGDLEAAEAEFKKAGKLGKEMEKLAK
Selected Chain(s)	B
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with B chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:42)

• Minimal score value: -4.5708
• Maximal score value: 0.0352
• Average score: -2.1587
• Total score value: -107.9348

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan3D score	mutation
1	A	B	-2.0398
2	E	B	-3.6183
3	E	B	-4.2902
4	K	B	-3.8637
5	L	B	-3.6894
6	K	B	-4.5708
7	E	B	-4.3802
8	L	B	0.0000
9	S	B	-2.2747
10	K	B	-2.9041
11	K	B	-2.4521
12	L	B	-1.2145
13	F	B	0.0352
14	E	B	-1.6538
15	E	B	-1.5752
16	F	B	-0.8504
17	E	B	-2.1757
18	K	B	-2.3738
19	A	B	0.0000
20	A	B	-1.7482
21	E	B	-2.6991
22	Y	B	-1.5584
23	I	B	-0.9135
24	K	B	-1.9034
25	A	B	-1.0629
26	G	B	-1.0299
27	D	B	-1.4048
28	L	B	-0.4348
29	E	B	-1.7670
30	A	B	-1.5256
31	A	B	0.0000
32	E	B	-2.1530
33	A	B	-1.8839
34	E	B	-1.7597
35	F	B	-1.5121
36	K	B	-2.6557
37	K	B	-2.4852
38	A	B	0.0000
39	G	B	-2.1216
40	K	B	-3.3218
41	L	B	-2.3594
42	G	B	-2.7959
43	K	B	-3.8348
44	E	B	-3.2884
45	M	B	-3.1094
46	E	B	-3.9841
47	K	B	-3.6552
48	L	B	-2.3213
49	A	B	-2.1806
50	K	B	-2.5736